N-(pyridin-4-ylmethyl)-3-thiophen-2-ylprop-2-enamide

C13H12N2OS — CID 4165696

IUPACN-(pyridin-4-ylmethyl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(C=Cc1cccs1)NCc1ccncc1
InChIInChI=1S/C13H12N2OS/c16-13(4-3-12-2-1-9-17-12)15-10-11-5-7-14-8-6-11/h1-9H,10H2,(H,15,16)
InChIKeyWUDLNHHUJSPREP-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.47
Rot. Bonds4

About N-(pyridin-4-ylmethyl)-3-thiophen-2-ylprop-2-enamide

N-(pyridin-4-ylmethyl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 4165696) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-3-thiophen-2-ylprop-2-enamide
PubChem CID4165696
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC NameN-(pyridin-4-ylmethyl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(C=Cc1cccs1)NCc1ccncc1
InChIInChI=1S/C13H12N2OS/c16-13(4-3-12-2-1-9-17-12)15-10-11-5-7-14-8-6-11/h1-9H,10H2,(H,15,16)
InChIKeyWUDLNHHUJSPREP-UHFFFAOYSA-N
XLogP2.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]methyl]benzoic acid
CID 24698656
(E)-N-[[4-(4-methoxyphenoxy)phenyl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 139582326
N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 171136538
N-[(6-methyl-2-pyridinyl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 103598251
(E)-N-[(3,4-dimethoxyphenyl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 2418056
(E)-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 121196988
2-[4-[[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]methyl]triazol-1-yl]acetic acid
CID 115457459
(E)-N-[[4-oxo-3-(pyridin-3-ylmethyl)phthalazin-1-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 121049481
(E)-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 71797562
(E)-3-thiophen-2-yl-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 17407233
3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 895858
(E)-3-thiophen-2-yl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]prop-2-enamide
CID 122162269

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of N-(pyridin-4-ylmethyl)-3-thiophen-2-ylprop-2-enamide (CID 4165696) is N-(pyridin-4-ylmethyl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for N-(pyridin-4-ylmethyl)-3-thiophen-2-ylprop-2-enamide is O=C(C=Cc1cccs1)NCc1ccncc1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is WUDLNHHUJSPREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c16-13(4-3-12-2-1-9-17-12)15-10-11-5-7-14-8-6-11/h1-9H,10H2,(H,15,16).
What are the key properties of N-(pyridin-4-ylmethyl)-3-thiophen-2-ylprop-2-enamide?
N-(pyridin-4-ylmethyl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 244.32 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 4165696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).